4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene

C14H8Br2I2 — CID 67463179

IUPAC4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene
SMILESBrc1ccc(/C=C/c2ccc(Br)cc2I)c(I)c1
InChIInChI=1S/C14H8Br2I2/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h1-8H/b2-1+
InChIKeyIGEWLNVXUBNCLX-OWOJBTEDSA-N
MW589.83 g/mol
LogP6.59
Rot. Bonds2

About 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene

4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene (PubChem CID 67463179) has the molecular formula C14H8Br2I2 and a molecular weight of 589.83 g/mol. Its IUPAC name is 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene.

Molecular Properties

Compound Name4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene
PubChem CID67463179
Molecular FormulaC14H8Br2I2
Molecular Weight589.83 g/mol
Exact Mass587.71
IUPAC Name4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene
SMILESBrc1ccc(/C=C/c2ccc(Br)cc2I)c(I)c1
InChIInChI=1S/C14H8Br2I2/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h1-8H/b2-1+
InChIKeyIGEWLNVXUBNCLX-OWOJBTEDSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.83
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene?
The IUPAC name of 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene (CID 67463179) is 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene.
What is the SMILES notation for 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene?
The canonical SMILES for 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene is Brc1ccc(/C=C/c2ccc(Br)cc2I)c(I)c1.
What is the InChIKey of 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene?
The InChIKey is IGEWLNVXUBNCLX-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H8Br2I2/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h1-8H/b2-1+.
What are the key properties of 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene?
4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene has a molecular weight of 589.83 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(E)-2-(4-bromo-2-iodophenyl)ethenyl]-2-iodobenzene is sourced from PubChem (CID 67463179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).